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DocumentationIdentifier: MM168827
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168827 |
| SMILES |
C=CC=CNC(=O)C=C
|
| InChIKey |
SWVQNDJSLGLNDM-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM374946
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Similarity to MM374946
| Tanimoto metric | 0.8588 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.9241 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113720
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| Cosine metric | 0.9216 |
| Dice metric | 0.9185 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280739
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| Tanimoto metric | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
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| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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